methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate

C15H30N2O3 — CID 82961022

IUPACmethyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(CCOC)C(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-12(2)17(9-10-19-4)13-7-6-8-15(11-13,16-3)14(18)20-5/h12-13,16H,6-11H2,1-5H3
InChIKeyUMBCIBPREFWCSH-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds7

About methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 82961022) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID82961022
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(CCOC)C(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-12(2)17(9-10-19-4)13-7-6-8-15(11-13,16-3)14(18)20-5/h12-13,16H,6-11H2,1-5H3
InChIKeyUMBCIBPREFWCSH-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304
methyl 1-(ethylamino)-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylate
CID 79636984
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499
methyl 1-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636681
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
3-[2-methoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79641824
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate (CID 82961022) is methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(N(CCOC)C(C)C)C1.
What is the InChIKey of methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is UMBCIBPREFWCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)17(9-10-19-4)13-7-6-8-15(11-13,16-3)14(18)20-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 82961022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).